2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide

C22H28Cl2N2O2 — CID 90306283

IUPAC2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
SMILESC=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C(C2CCCCC2)N1C
InChIInChI=1S/C22H28Cl2N2O2/c1-14-21(27)19(20(26(14)2)16-8-4-3-5-9-16)22(28)25-12-6-7-15-10-11-17(23)18(24)13-15/h10-11,13,16,20,27H,1,3-9,12H2,2H3,(H,25,28)
InChIKeyIPJZRBOSLQZNOP-UHFFFAOYSA-N
MW423.38 g/mol
LogP5.26
Rot. Bonds6

About 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide

2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide (PubChem CID 90306283) has the molecular formula C22H28Cl2N2O2 and a molecular weight of 423.38 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
PubChem CID90306283
Molecular FormulaC22H28Cl2N2O2
Molecular Weight423.38 g/mol
Exact Mass422.15
IUPAC Name2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
SMILESC=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C(C2CCCCC2)N1C
InChIInChI=1S/C22H28Cl2N2O2/c1-14-21(27)19(20(26(14)2)16-8-4-3-5-9-16)22(28)25-12-6-7-15-10-11-17(23)18(24)13-15/h10-11,13,16,20,27H,1,3-9,12H2,2H3,(H,25,28)
InChIKeyIPJZRBOSLQZNOP-UHFFFAOYSA-N
XLogP5.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.38
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
CID 90306288
N-[3-(3,4-dichlorophenyl)propyl]-2-(2,2-dimethylpropyl)-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
CID 90306289
N-[3-(3,4-dichlorophenyl)propyl]-2-(4-fluorophenyl)-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
CID 90306386
2-(2-chlorophenyl)-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489304
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2-propyl-1,2-dihydropyrrole-3-carboxamide
CID 118457366
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-[2-[4-(1-hydroxyethenyl)phenyl]ethyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 90306376
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(5-methylhexyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 158847179
N-[3-(3,4-dichlorophenyl)propyl]-5-hydroxy-1,2,3-trimethyl-6-oxopyridine-4-carboxamide
CID 71547881
1-[2-[acetyl(methyl)amino]ethyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 118014439
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 90306327
N-[3-(3,4-dichlorophenyl)propyl]-1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489429
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxamide
CID 89489395

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide (CID 90306283) is 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide is C=C1C(O)=C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)C(C2CCCCC2)N1C.
What is the InChIKey of 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The InChIKey is IPJZRBOSLQZNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2O2/c1-14-21(27)19(20(26(14)2)16-8-4-3-5-9-16)22(28)25-12-6-7-15-10-11-17(23)18(24)13-15/h10-11,13,16,20,27H,1,3-9,12H2,2H3,(H,25,28).
What are the key properties of 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide has a molecular weight of 423.38 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90306283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).